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Journal Articles
- 2007
[j30]Nikolay P. Todorov, Ian L. Alberts, Iwan J. P. de Esch, Philip M. Dean:
QUASI: A Novel Method for Simultaneous Superposition of Multiple Flexible Ligands and Virtual Screening Using Partial Similarity. J. Chem. Inf. Model. 47(3): 1007-1020 (2007)- 2006
- [j29]Stuart Firth-Clark, Nikolay P. Todorov, Ian L. Alberts, Anthony Williams, Timothy James, Philip M. Dean:
Exhaustive de novo Design of Low-Molecular-Weight Fragments Against the ATP-Binding Site of DNA-Gyrase. J. Chem. Inf. Model. 46(3): 1168-1173 (2006) - 2002
- [j28]Martin Stahl, Nikolay P. Todorov, Timothy James, Harald Mauser, Hans-Joachim Böhm, Philip M. Dean:
A validation study on the practical use of automated de novo design. J. Comput. Aided Mol. Des. 16(7): 459-478 (2002) - 2001
- [j27]J. E. J. Mills, Iwan J. P. de Esch, Tim D. J. Perkins, Philip M. Dean:
Slate: A method for the superposition of flexible ligands. J. Comput. Aided Mol. Des. 15(1): 81-96 (2001) - 1999
- [j26]S. L. Garland, Philip M. Dean:
Design criteria for molecular mimics of fragments of the beta-turn. 1. C-alpha atom analysis. J. Comput. Aided Mol. Des. 13(5): 469-483 (1999) - [j25]S. L. Garland, Philip M. Dean:
Design criteria for molecular mimics of fragments of the beta-turn. 2. C-alpha-C-beta bond vector analysis. J. Comput. Aided Mol. Des. 13(5): 485-498 (1999) - 1998
- [j24]Nikolay P. Todorov, Philip M. Dean:
A branch-and-bound method for optimal atom-type assignment in de novo ligand design. J. Comput. Aided Mol. Des. 12(4): 335-349 (1998) - 1997
- [j23]Nikolay P. Todorov, Philip M. Dean:
Evaluation of a method for controlling molecular scaffold diversity in de novo ligand design. J. Comput. Aided Mol. Des. 11(2): 175-192 (1997) - [j22]J. E. J. Mills, Tim D. J. Perkins, Philip M. Dean:
An automated method for predicting the positions of hydrogen-bonding atoms in binding sites. J. Comput. Aided Mol. Des. 11(3): 229-242 (1997) - 1996
- [j21]J. E. J. Mills, Philip M. Dean:
Three-dimensional hydrogen-bond geometry and probability information from a crystal survey. J. Comput. Aided Mol. Des. 10(6): 607-622 (1996) - 1995
- [j20]M. T. Barakat, P. M. Dean:
The atom assignment problem in automated de novo drug design. 1. Transferability of molecular fragment properties. J. Comput. Aided Mol. Des. 9(4): 341-350 (1995) - [j19]M. T. Barakat, P. M. Dean:
The atom assignment problem in automated de novo drug design. 2. A method for molecular graph and fragment perception. J. Comput. Aided Mol. Des. 9(4): 351-358 (1995) - [j18]M. T. Barakat, P. M. Dean:
The atom assignment problem in automated de novo drug design. 3. Algorithms for optimization of fragment placement onto 3D molecular graphs. J. Comput. Aided Mol. Des. 9(4): 359-372 (1995) - [j17]M. T. Barakat, P. M. Dean:
The atom assignment problem in automated de novo drug design. 4. Tests for site-directed fragment placement based on molecular complementarity. J. Comput. Aided Mol. Des. 9(5): 448-456 (1995) - [j16]M. T. Barakat, P. M. Dean:
The atom assignment problem in automated de novo drug design. 5. Tests for envelope-directed fragment placement based on molecular similarity. J. Comput. Aided Mol. Des. 9(5): 457-462 (1995) - [j15]Tim D. J. Perkins, J. E. J. Mills, Philip M. Dean:
Molecular surface-volume and property matching to superpose flexible dissimilar molecules. J. Comput. Aided Mol. Des. 9(6): 479-490 (1995) - [j14]C. S. Poornima, P. M. Dean:
Hydration in drug design. 1. Multiple hydrogen-bonding features of water molecules in mediating protein-ligand interactions. J. Comput. Aided Mol. Des. 9(6): 500-512 (1995) - [j13]C. S. Poornima, P. M. Dean:
Hydration in drug design. 2. Influence of local site surface shape on water binding. J. Comput. Aided Mol. Des. 9(6): 513-520 (1995) - [j12]C. S. Poornima, P. M. Dean:
Hydration in drug design. 3. Conserved water molecules at the ligand-binding sites of homologous proteins. J. Comput. Aided Mol. Des. 9(6): 521-531 (1995) - 1994
- [j11]P.-L. Chau, Philip M. Dean:
Electrostatic complementarity between proteins and ligands. 1. Charge disposition, dielectric and interface effects. J. Comput. Aided Mol. Des. 8(5): 513-525 (1994) - [j10]P.-L. Chau, Philip M. Dean:
Electrostatic complementarity between proteins and ligands. 2. Ligand moieties. J. Comput. Aided Mol. Des. 8(5): 527-544 (1994) - [j9]P.-L. Chau, Philip M. Dean:
Electrostatic complementarity between proteins and ligands. 3. Structural basis. J. Comput. Aided Mol. Des. 8(5): 545-564 (1994) - 1993
- [j8]Tim D. J. Perkins, Philip M. Dean:
An exploration of a novel strategy for superposing several flexible molecules. J. Comput. Aided Mol. Des. 7(2): 155-172 (1993) - 1992
- [j7]P.-L. Chau, Philip M. Dean:
Automated site-directed drug design: The generation of a basic set of fragments to be used for automated structure assembly. J. Comput. Aided Mol. Des. 6(4): 385-396 (1992) - [j6]P.-L. Chau, Philip M. Dean:
Automated site-directed drug design: Searches of the Cambridge Structural Database for bond lengths in molecular fragments to be used for automated structure assembly. J. Comput. Aided Mol. Des. 6(4): 397-406 (1992) - [j5]P.-L. Chau, Philip M. Dean:
Automated site-directed drug design: An assessment of the transferability of atomic residual charges (CNDO) for molecular fragments. J. Comput. Aided Mol. Des. 6(4): 407-426 (1992) - 1991
- [j4]M. T. Barakat, P. M. Dean:
Molecular structure matching by simulated annealing. III. The incorporation of null correspondences into the matching problem. J. Comput. Aided Mol. Des. 5(2): 107-117 (1991) - [j3]M. C. Papadopoulos, P. M. Dean:
Molecular structure matching by simulated annealing. IV. Classification of atom correspondences in sets of dissimilar molecules. J. Comput. Aided Mol. Des. 5(2): 119-133 (1991) - 1990
- [j2]M. T. Barakat, P. M. Dean:
Molecular structure matching by simulated annealing. I. A comparison between different cooling schedules. J. Comput. Aided Mol. Des. 4(3): 295-316 (1990) - [j1]M. T. Barakat, P. M. Dean:
Molecular structure matching by simulated annealing. II. An exploration of the evolution of configuration landscape problems. J. Comput. Aided Mol. Des. 4(3): 317-330 (1990)
Coauthor Index
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